2-[2-[(4-tert-butylphenyl)sulfonylamino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[(4-tert-butylphenyl)sulfonylamino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(4-tert-butylphenyl)sulfonylamino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H27N3O4S2/c1-21(2,3)13-8-10-14(11-9-13)30(27,28)23-12-17(25)24-20-18(19(22)26)15-6-4-5-7-16(15)29-20/h8-11,23H,4-7,12H2,1-3H3,(H2,22,26)(H,24,25)